Compound Identification
SMILES
COC1=C(O)C=C(C=C1O)[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O
InChIKey
InChIKey=ITDYPNOEEHONAH-UKRRQHHQSA-N
Formula
C16H16O7
Mass
320.297
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
-
Level 5
Flavan-3-ols
-
Level 6
Catechins
- Level 7 Epigallocatechins
-
Level 6
Catechins
-
Level 5
Flavan-3-ols
-
Subclass
Flavans
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Flavan-3-ols - Catechins
Direct Parent
Epigallocatechins
Alternative Parents
4'-O-methylated flavonoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids 1-benzopyrans Methoxyphenols Resorcinols Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Secondary alcohols Oxacyclic compounds Polyols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Epigallocatechin - 4p-methoxyflavonoid-skeleton - 7-hydroxyflavonoid - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Resorcinol - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Organoheterocyclic compound - Ether - Polyol - Oxacycle - Organic oxygen compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as epigallocatechins. These are compounds containing epigallocatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moiety.
External Descriptors
CHEBI:70253 :
catechin
LIPIDMAPS (LMPK12020134) :
Flavans, Flavanols and Leucoanthocyanidins